BMRB

Biological Magnetic Resonance Data Bank


A Repository for Data from NMR Spectroscopy on Proteins, Peptides, Nucleic Acids, and other Biomolecules
Member of WWPDB

BMRB Entry 16943

Title: Solution structure of the leader sequence of the patellamide precursor peptide, PatE1-34   PubMed: 20715266

Deposition date: 2010-05-21 Original release date: 2010-08-19

Authors: Houssen, Wael; Wright, Steven; Kalverda, Arnout; Thompson, Gary; Kelly, Sharon; Jaspars, Marcel

Citation: Houssen, Wael; Wright, Stephen; Kalverda, Arnout; Thompson, Gary; Kelly, Sharon; Jaspars, Marcel. "Solution structure of the leader sequence of the patellamide precursor peptide, PatE1-34."  Chembiochem 11, 1867-1873 (2010).

Assembly members:
PatE1-34, polymer, 34 residues, 3709.285 Da.

Natural source:   Common Name: Tunicates   Taxonomy ID: 13110   Superkingdom: Eukaryota   Kingdom: Metazoa   Genus/species: Lissoclinum patella

Experimental source:   Production method: chemical synthesis

Entity Sequences (FASTA):
PatE1-34: MNKKNILPQQGQPVIRLTAG QLSSQLAELSEEAL

Data sets:
Data typeCount
1H chemical shifts242

Additional metadata:

  • Assembly
  • Samples and Experiments
  • Software
  • Spectrometers
  • Hide all

Assembly:

Entity Assembly IDEntity NameEntity ID
1PatE1-341

Entities:

Entity 1, PatE1-34 34 residues - 3709.285 Da.

1   METASNLYSLYSASNILELEUPROGLNGLN
2   GLYGLNPROVALILEARGLEUTHRALAGLY
3   GLNLEUSERSERGLNLEUALAGLULEUSER
4   GLUGLUALALEU

Samples:

sample_1: H2O 50 ± 1 %; TFE, [U-100% 2H], 50 ± 1 %; sodium chloride 100 ± 1 mM; sodium phosphate 20 ± 1 mM; PatE1-34 1 ± 0.1 mM

sample_conditions_1: ionic strength: 0.160 M; pH: 5.7; pressure: 1 atm; temperature: 298 K

Experiments:

NameSampleSample stateSample conditions
2D 1H-1H WCOSYsample_1isotropicsample_conditions_1
2D 1H-1H TOCSY 40ms mixsample_1isotropicsample_conditions_1
2D 1H-1H NOESY 60ms mixsample_1isotropicsample_conditions_1
2D 1H-1H TOCSY 80ms mixsample_1isotropicsample_conditions_1
D 1H-1H NOESY 120ms mixsample_1isotropicsample_conditions_1
D 1H-1H NOESY 200ms mixsample_1isotropicsample_conditions_1
D 1H-1H NOESY 300ms mixsample_1isotropicsample_conditions_1

Software:

ARIA v2.2u3, Linge, O'Donoghue and Nilges - chemical shift assignment, structure solution

ccpn_analysis v1.15, ccpn, cambridge - chemical shift assignment, data analysis, peak picking

CNS v1.1, Brunger, Adams, Clore, Gros, Nilges and Read - refinement, structure solution

NMRPipe v3.0 Rev 2007.068.09.07, Delaglio, Grzesiek, Vuister, Zhu, Pfeifer and Bax - processing

NMR spectrometers:

  • Varian INOVA 600 MHz